2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol (CHEBI:45412)

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ChEBI Name	2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol

ChEBI ID	CHEBI:45412

ChEBI ASCII Name	2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol

Definition	An optically active tetramine epitope consisting of three separate amino substituents attached to a central carbon.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H26N4O2

Net Charge

Average Mass

330.42460

Monoisotopic Mass

330.20558

InChI

InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1

InChIKey

LPSXGZAUAOMRNU-FZKQIMNGSA-N

SMILES

C[C@@H](N[C@@H](NCC(O)O)Nc1ccc(CN)cc1)c1ccccc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol (CHEBI:45412) has role epitope (CHEBI:53000) 2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol (CHEBI:45412) is a aldehyde hydrate (CHEBI:63733) 2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol (CHEBI:45412) is a tetramine (CHEBI:39166)

IUPAC Name

2-{[(R)-[4-(aminomethyl)anilino]{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol

Synonym	Source
2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol	ChEBI

Citation	Type	Source
16026161	PubMed citation	Europe PMC

Last Modified

20 December 2016